4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 114469889

IUPAC4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C13H22N4O2S/c1-8(2)7-19-6-5-15-12(18)10-11(14)17-13(20-10)16-9(3)4/h9H,1,5-7,14H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyIMEDKYJJZOZSHD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.87
Rot. Bonds8

About 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 114469889) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID114469889
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C13H22N4O2S/c1-8(2)7-19-6-5-15-12(18)10-11(14)17-13(20-10)16-9(3)4/h9H,1,5-7,14H2,2-4H3,(H,15,18)(H,16,17)
InChIKeyIMEDKYJJZOZSHD-UHFFFAOYSA-N
XLogP1.87
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 106242080
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 114469889) is 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is C=C(C)COCCNC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is IMEDKYJJZOZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)7-19-6-5-15-12(18)10-11(14)17-13(20-10)16-9(3)4/h9H,1,5-7,14H2,2-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114469889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).